5-amino-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one

C10H13F3N2O2 — CID 79356174

IUPAC5-amino-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one
SMILESCc1cc(=O)n(CCOCC(F)(F)F)cc1N
InChIInChI=1S/C10H13F3N2O2/c1-7-4-9(16)15(5-8(7)14)2-3-17-6-10(11,12)13/h4-5H,2-3,6,14H2,1H3
InChIKeyIKCVKPQGLJXYOG-UHFFFAOYSA-N
MW250.22 g/mol
LogP1.32
Rot. Bonds4

About 5-amino-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one

5-amino-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one (PubChem CID 79356174) has the molecular formula C10H13F3N2O2 and a molecular weight of 250.22 g/mol. Its IUPAC name is 5-amino-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one
PubChem CID79356174
Molecular FormulaC10H13F3N2O2
Molecular Weight250.22 g/mol
Exact Mass250.09
IUPAC Name5-amino-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one
SMILESCc1cc(=O)n(CCOCC(F)(F)F)cc1N
InChIInChI=1S/C10H13F3N2O2/c1-7-4-9(16)15(5-8(7)14)2-3-17-6-10(11,12)13/h4-5H,2-3,6,14H2,1H3
InChIKeyIKCVKPQGLJXYOG-UHFFFAOYSA-N
XLogP1.32
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one?
The IUPAC name of 5-amino-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one (CID 79356174) is 5-amino-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one?
The canonical SMILES for 5-amino-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one is Cc1cc(=O)n(CCOCC(F)(F)F)cc1N.
What is the InChIKey of 5-amino-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one?
The InChIKey is IKCVKPQGLJXYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2/c1-7-4-9(16)15(5-8(7)14)2-3-17-6-10(11,12)13/h4-5H,2-3,6,14H2,1H3.
What are the key properties of 5-amino-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one?
5-amino-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one has a molecular weight of 250.22 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one is sourced from PubChem (CID 79356174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).